1-ethyl-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]benzotriazole-5-carboxamide;1-(3H-isoindol-1-yl)-3-(4-morpholin-4-ylsulfonylphenyl)propan-1-one;3-(methoxymethyl)-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]-1-benzofuran-2-carboxamide;3-methyl-1-(2-methylpropyl)-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]thieno[3,2-d]pyrazole-5-carboxamide;3-methyl-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]-1-benzofuran-2-carboxamide;5-methyl-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]imidazo[1,2-a]pyridine-2-carboxamide;N-[(4-morpholin-4-ylsulfonylphenyl)methyl]-1,3-benzothiazole-6-carboxamide

C145H160N22O31S9 — CID 157274568

IUPAC1-ethyl-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]benzotriazole-5-carboxamide;1-(3H-isoindol-1-yl)-3-(4-morpholin-4-ylsulfonylphenyl)propan-1-one;3-(methoxymethyl)-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]-1-benzofuran-2-carboxamide;3-methyl-1-(2-methylpropyl)-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]thieno[3,2-d]pyrazole-5-carboxamide;3-methyl-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]-1-benzofuran-2-carboxamide;5-methyl-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]imidazo[1,2-a]pyridine-2-carboxamide;N-[(4-morpholin-4-ylsulfonylphenyl)methyl]-1,3-benzothiazole-6-carboxamide
SMILESCCn1nnc2cc(C(=O)NCc3ccc(S(=O)(=O)N4CCOCC4)cc3)ccc21.COCc1c(C(=O)NCc2ccc(S(=O)(=O)N3CCOCC3)cc2)oc2ccccc12.Cc1c(C(=O)NCc2ccc(S(=O)(=O)N3CCOCC3)cc2)oc2ccccc12.Cc1cccc2nc(C(=O)NCc3ccc(S(=O)(=O)N4CCOCC4)cc3)cn12.Cc1nn(CC(C)C)c2sc(C(=O)NCc3ccc(S(=O)(=O)N4CCOCC4)cc3)cc12.O=C(CCc1ccc(S(=O)(=O)N2CCOCC2)cc1)C1=NCc2ccccc21.O=C(NCc1ccc(S(=O)(=O)N2CCOCC2)cc1)c1ccc2ncsc2c1
InChIInChI=1S/C22H28N4O4S2.C22H24N2O6S.C21H22N2O5S.C21H22N2O4S.C20H23N5O4S.C20H22N4O4S.C19H19N3O4S2/c1-15(2)14-26-22-19(16(3)24-26)12-20(31-22)21(27)23-13-17-4-6-18(7-5-17)32(28,29)25-8-10-30-11-9-25;1-28-15-19-18-4-2-3-5-20(18)30-21(19)22(25)23-14-16-6-8-17(9-7-16)31(26,27)24-10-12-29-13-11-24;1-15-18-4-2-3-5-19(18)28-20(15)21(24)22-14-16-6-8-17(9-7-16)29(25,26)23-10-12-27-13-11-23;24-20(21-19-4-2-1-3-17(19)15-22-21)10-7-16-5-8-18(9-6-16)28(25,26)23-11-13-27-14-12-23;1-2-25-19-8-5-16(13-18(19)22-23-25)20(26)21-14-15-3-6-17(7-4-15)30(27,28)24-9-11-29-12-10-24;1-15-3-2-4-19-22-18(14-24(15)19)20(25)21-13-16-5-7-17(8-6-16)29(26,27)23-9-11-28-12-10-23;23-19(15-3-6-17-18(11-15)27-13-21-17)20-12-14-1-4-16(5-2-14)28(24,25)22-7-9-26-10-8-22/h4-7,12,15H,8-11,13-14H2,1-3H3,(H,23,27);2-9H,10-15H2,1H3,(H,23,25);2-9H,10-14H2,1H3,(H,22,24);1-6,8-9H,7,10-15H2;3-8,13H,2,9-12,14H2,1H3,(H,21,26);2-8,14H,9-13H2,1H3,(H,21,25);1-6,11,13H,7-10,12H2,(H,20,23)
InChIKeyAYYCJILYTQMTPM-UHFFFAOYSA-N
MW2995.60 g/mol
LogP15.69
Rot. Bonds41

About 1-ethyl-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]benzotriazole-5-carboxamide;1-(3H-isoindol-1-yl)-3-(4-morpholin-4-ylsulfonylphenyl)propan-1-one;3-(methoxymethyl)-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]-1-benzofuran-2-carboxamide;3-methyl-1-(2-methylpropyl)-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]thieno[3,2-d]pyrazole-5-carboxamide;3-methyl-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]-1-benzofuran-2-carboxamide;5-methyl-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]imidazo[1,2-a]pyridine-2-carboxamide;N-[(4-morpholin-4-ylsulfonylphenyl)methyl]-1,3-benzothiazole-6-carboxamide

1-ethyl-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]benzotriazole-5-carboxamide;1-(3H-isoindol-1-yl)-3-(4-morpholin-4-ylsulfonylphenyl)propan-1-one;3-(methoxymethyl)-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]-1-benzofuran-2-carboxamide;3-methyl-1-(2-methylpropyl)-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]thieno[3,2-d]pyrazole-5-carboxamide;3-methyl-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]-1-benzofuran-2-carboxamide;5-methyl-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]imidazo[1,2-a]pyridine-2-carboxamide;N-[(4-morpholin-4-ylsulfonylphenyl)methyl]-1,3-benzothiazole-6-carboxamide (PubChem CID 157274568) has the molecular formula C145H160N22O31S9 and a molecular weight of 2995.60 g/mol. Its IUPAC name is 1-ethyl-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]benzotriazole-5-carboxamide;1-(3H-isoindol-1-yl)-3-(4-morpholin-4-ylsulfonylphenyl)propan-1-one;3-(methoxymethyl)-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]-1-benzofuran-2-carboxamide;3-methyl-1-(2-methylpropyl)-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]thieno[3,2-d]pyrazole-5-carboxamide;3-methyl-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]-1-benzofuran-2-carboxamide;5-methyl-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]imidazo[1,2-a]pyridine-2-carboxamide;N-[(4-morpholin-4-ylsulfonylphenyl)methyl]-1,3-benzothiazole-6-carboxamide.

Molecular Properties

Compound Name1-ethyl-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]benzotriazole-5-carboxamide;1-(3H-isoindol-1-yl)-3-(4-morpholin-4-ylsulfonylphenyl)propan-1-one;3-(methoxymethyl)-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]-1-benzofuran-2-carboxamide;3-methyl-1-(2-methylpropyl)-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]thieno[3,2-d]pyrazole-5-carboxamide;3-methyl-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]-1-benzofuran-2-carboxamide;5-methyl-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]imidazo[1,2-a]pyridine-2-carboxamide;N-[(4-morpholin-4-ylsulfonylphenyl)methyl]-1,3-benzothiazole-6-carboxamide
PubChem CID157274568
Molecular FormulaC145H160N22O31S9
Molecular Weight2995.60 g/mol
Exact Mass2992.91
IUPAC Name1-ethyl-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]benzotriazole-5-carboxamide;1-(3H-isoindol-1-yl)-3-(4-morpholin-4-ylsulfonylphenyl)propan-1-one;3-(methoxymethyl)-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]-1-benzofuran-2-carboxamide;3-methyl-1-(2-methylpropyl)-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]thieno[3,2-d]pyrazole-5-carboxamide;3-methyl-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]-1-benzofuran-2-carboxamide;5-methyl-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]imidazo[1,2-a]pyridine-2-carboxamide;N-[(4-morpholin-4-ylsulfonylphenyl)methyl]-1,3-benzothiazole-6-carboxamide
SMILESCCn1nnc2cc(C(=O)NCc3ccc(S(=O)(=O)N4CCOCC4)cc3)ccc21.COCc1c(C(=O)NCc2ccc(S(=O)(=O)N3CCOCC3)cc2)oc2ccccc12.Cc1c(C(=O)NCc2ccc(S(=O)(=O)N3CCOCC3)cc2)oc2ccccc12.Cc1cccc2nc(C(=O)NCc3ccc(S(=O)(=O)N4CCOCC4)cc3)cn12.Cc1nn(CC(C)C)c2sc(C(=O)NCc3ccc(S(=O)(=O)N4CCOCC4)cc3)cc12.O=C(CCc1ccc(S(=O)(=O)N2CCOCC2)cc1)C1=NCc2ccccc21.O=C(NCc1ccc(S(=O)(=O)N2CCOCC2)cc1)c1ccc2ncsc2c1
InChIInChI=1S/C22H28N4O4S2.C22H24N2O6S.C21H22N2O5S.C21H22N2O4S.C20H23N5O4S.C20H22N4O4S.C19H19N3O4S2/c1-15(2)14-26-22-19(16(3)24-26)12-20(31-22)21(27)23-13-17-4-6-18(7-5-17)32(28,29)25-8-10-30-11-9-25;1-28-15-19-18-4-2-3-5-20(18)30-21(19)22(25)23-14-16-6-8-17(9-7-16)31(26,27)24-10-12-29-13-11-24;1-15-18-4-2-3-5-19(18)28-20(15)21(24)22-14-16-6-8-17(9-7-16)29(25,26)23-10-12-27-13-11-23;24-20(21-19-4-2-1-3-17(19)15-22-21)10-7-16-5-8-18(9-6-16)28(25,26)23-11-13-27-14-12-23;1-2-25-19-8-5-16(13-18(19)22-23-25)20(26)21-14-15-3-6-17(7-4-15)30(27,28)24-9-11-29-12-10-24;1-15-3-2-4-19-22-18(14-24(15)19)20(25)21-13-16-5-7-17(8-6-16)29(26,27)23-9-11-28-12-10-23;23-19(15-3-6-17-18(11-15)27-13-21-17)20-12-14-1-4-16(5-2-14)28(24,25)22-7-9-26-10-8-22/h4-7,12,15H,8-11,13-14H2,1-3H3,(H,23,27);2-9H,10-15H2,1H3,(H,23,25);2-9H,10-14H2,1H3,(H,22,24);1-6,8-9H,7,10-15H2;3-8,13H,2,9-12,14H2,1H3,(H,21,26);2-8,14H,9-13H2,1H3,(H,21,25);1-6,11,13H,7-10,12H2,(H,20,23)
InChIKeyAYYCJILYTQMTPM-UHFFFAOYSA-N
XLogP15.69
TPSA644.53 Ų
H-Bond Donors6
H-Bond Acceptors42
Rotatable Bonds41
Heavy Atoms207
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002995.60
LogP ≤ 515.69
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1042

Analyze 1-ethyl-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]benzotriazole-5-carboxamide;1-(3H-isoindol-1-yl)-3-(4-morpholin-4-ylsulfonylphenyl)propan-1-one;3-(methoxymethyl)-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]-1-benzofuran-2-carboxamide;3-methyl-1-(2-methylpropyl)-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]thieno[3,2-d]pyrazole-5-carboxamide;3-methyl-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]-1-benzofuran-2-carboxamide;5-methyl-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]imidazo[1,2-a]pyridine-2-carboxamide;N-[(4-morpholin-4-ylsulfonylphenyl)methyl]-1,3-benzothiazole-6-carboxamide with MolForge

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Related Compounds

N-[[5-[3-(1,1-difluoroethyl)phenyl]sulfonylpyrimidin-2-yl]methyl]imidazo[1,2-a]pyridine-6-carboxamide;N-[[5-[[6-(1,1-difluoroethyl)-3-pyridinyl]sulfonyl]-2-pyridinyl]methyl]furo[2,3-c]pyridine-2-carboxamide;N-[[5-[[6-(1,1-difluoroethyl)-3-pyridinyl]sulfonyl]-2-pyridinyl]methyl]thieno[2,3-c]pyridine-2-carboxamide;N-[[5-[[2-(dimethylamino)-1,3-thiazol-5-yl]sulfonyl]-2-pyridinyl]methyl]imidazo[1,2-a]pyridine-6-carboxamide;N-[[5-[[2-(dimethylamino)-1,3-thiazol-5-yl]sulfonyl]-2-pyridinyl]methyl]thieno[2,3-c]pyridine-2-carboxamide;N-[[5-(1-propylpyrazol-4-yl)sulfonyl-2-pyridinyl]methyl]thieno[2,3-c]pyridine-2-carboxamide
CID 159500354
1,5-dimethyl-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]indole-2-carboxamide;7-fluoro-3-methyl-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]-1-benzofuran-2-carboxamide;5-fluoro-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]-1-benzothiophene-2-carboxamide;1-(3H-isoindol-4-yl)-3-(4-piperidin-1-ylsulfonylphenyl)propan-1-one;8-methyl-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]imidazo[1,2-a]pyridine-2-carboxamide;4-methyl-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]quinoline-2-carboxamide;2,4,5-trimethyl-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]thieno[2,3-d]pyrimidine-6-carboxamide
CID 157320216
N-[(4-piperidin-1-ylsulfonylphenyl)methyl]-1,3-benzothiazole-6-carboxamide;N-[(4-piperidin-1-ylsulfonylphenyl)methyl]furo[3,2-c]pyridine-2-carboxamide;N-[(4-piperidin-1-ylsulfonylphenyl)methyl]imidazo[1,2-a]pyridine-6-carboxamide;N-[(4-piperidin-1-ylsulfonylphenyl)methyl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide;N-[(4-piperidin-1-ylsulfonylphenyl)methyl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide
CID 157937506
N-[[5-[4-(1-methylpyrazol-4-yl)phenyl]sulfonyl-2-pyridinyl]methyl]furo[2,3-c]pyridine-2-carboxamide;N-[[5-(1-methylpyrazol-4-yl)sulfonyl-2-pyridinyl]methyl]imidazo[1,2-a]pyridine-6-carboxamide;N-[[5-(4-morpholin-4-ylphenyl)sulfonyl-2-pyridinyl]methyl]thieno[2,3-c]pyridine-2-carboxamide;N-[[5-[(6-morpholin-4-yl-3-pyridinyl)sulfonyl]-2-pyridinyl]methyl]imidazo[1,2-a]pyridine-6-carboxamide;N-[[5-(4-piperidin-1-ylphenyl)sulfonyl-2-pyridinyl]methyl]furo[2,3-c]pyridine-2-carboxamide;N-[[5-(4-piperidin-1-ylphenyl)sulfonyl-2-pyridinyl]methyl]imidazo[1,2-a]pyrimidine-6-carboxamide
CID 160478697
[(1R,2S)-2-[[8-carbamoyl-7-[[5-(5-morpholin-4-yl-7-oxothieno[3,2-b]pyran-3-yl)-1,3-thiazol-2-yl]amino]imidazo[1,2-c]pyrimidin-5-yl]amino]cyclohexyl]azanium;[(1R,2S)-2-[[8-carbamoyl-7-[[2-(5-morpholin-4-yl-7-oxothieno[3,2-b]pyran-3-yl)-1,3-thiazol-5-yl]amino]-[1,2,4]triazolo[1,5-c]pyrimidin-5-yl]amino]cyclohexyl]azanium;[(1R,2S)-2-[[8-carbamoyl-7-[[5-(5-morpholin-4-yl-7-oxothiopyrano[3,2-b]furan-3-yl)-1,3-thiazol-2-yl]amino]imidazo[1,2-c]pyrimidin-5-yl]amino]cyclohexyl]azanium;5-[[(1S,2R)-2-methylcyclohexyl]amino]-3-[[3-(5-morpholin-4-yl-7-oxofuro[3,2-b]pyran-3-yl)-1,2-thiazol-4-yl]methyl]pyridine-2-carboxamide;[(1R,2S)-2-[[4-[[2-(5-morpholin-4-yl-7-oxothieno[3,2-b]pyran-3-yl)-1,3-thiazol-5-yl]amino]-3-oxo-1,2-dihydropyrrolo[3,4-c]pyridin-6-yl]amino]cyclohexyl]azanium
CID 167595863
[(1R,2S)-2-[[6-acetyl-5-[3-(5-morpholin-4-yl-7-oxothiopyrano[3,2-b]furan-3-yl)anilino]-3-pyridinyl]amino]cyclohexyl]azanium;[(1R,2S)-2-[[8-carbamoyl-7-[[5-(5-morpholin-4-yl-7-oxothieno[3,2-b]pyran-3-yl)thiophen-3-yl]amino]imidazo[1,2-c]pyrimidin-5-yl]amino]cyclohexyl]azanium;[(1R,2S)-2-[[8-carbamoyl-7-[[5-(5-morpholin-4-yl-7-oxothieno[3,2-b]thiopyran-3-yl)-1,3-thiazol-2-yl]amino]-[1,2,4]triazolo[1,5-c]pyrimidin-5-yl]amino]cyclohexyl]azanium;[(1R,2S)-2-[[8-carbamoyl-7-[[5-(5-morpholin-4-yl-7-oxothieno[3,2-b]thiopyran-3-yl)thiophen-3-yl]amino]imidazo[1,2-c]pyrimidin-5-yl]amino]cyclohexyl]azanium;[(1R,2S)-2-[[4-[[2-(5-morpholin-4-yl-7-oxothieno[3,2-b]thiopyran-3-yl)-1,3-thiazol-5-yl]amino]-5-oxo-6,7-dihydropyrrolo[3,4-d]pyrimidin-2-yl]amino]cyclohexyl]azanium
CID 167692097

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]benzotriazole-5-carboxamide;1-(3H-isoindol-1-yl)-3-(4-morpholin-4-ylsulfonylphenyl)propan-1-one;3-(methoxymethyl)-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]-1-benzofuran-2-carboxamide;3-methyl-1-(2-methylpropyl)-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]thieno[3,2-d]pyrazole-5-carboxamide;3-methyl-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]-1-benzofuran-2-carboxamide;5-methyl-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]imidazo[1,2-a]pyridine-2-carboxamide;N-[(4-morpholin-4-ylsulfonylphenyl)methyl]-1,3-benzothiazole-6-carboxamide?
The IUPAC name of 1-ethyl-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]benzotriazole-5-carboxamide;1-(3H-isoindol-1-yl)-3-(4-morpholin-4-ylsulfonylphenyl)propan-1-one;3-(methoxymethyl)-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]-1-benzofuran-2-carboxamide;3-methyl-1-(2-methylpropyl)-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]thieno[3,2-d]pyrazole-5-carboxamide;3-methyl-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]-1-benzofuran-2-carboxamide;5-methyl-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]imidazo[1,2-a]pyridine-2-carboxamide;N-[(4-morpholin-4-ylsulfonylphenyl)methyl]-1,3-benzothiazole-6-carboxamide (CID 157274568) is 1-ethyl-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]benzotriazole-5-carboxamide;1-(3H-isoindol-1-yl)-3-(4-morpholin-4-ylsulfonylphenyl)propan-1-one;3-(methoxymethyl)-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]-1-benzofuran-2-carboxamide;3-methyl-1-(2-methylpropyl)-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]thieno[3,2-d]pyrazole-5-carboxamide;3-methyl-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]-1-benzofuran-2-carboxamide;5-methyl-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]imidazo[1,2-a]pyridine-2-carboxamide;N-[(4-morpholin-4-ylsulfonylphenyl)methyl]-1,3-benzothiazole-6-carboxamide.
What is the SMILES notation for 1-ethyl-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]benzotriazole-5-carboxamide;1-(3H-isoindol-1-yl)-3-(4-morpholin-4-ylsulfonylphenyl)propan-1-one;3-(methoxymethyl)-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]-1-benzofuran-2-carboxamide;3-methyl-1-(2-methylpropyl)-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]thieno[3,2-d]pyrazole-5-carboxamide;3-methyl-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]-1-benzofuran-2-carboxamide;5-methyl-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]imidazo[1,2-a]pyridine-2-carboxamide;N-[(4-morpholin-4-ylsulfonylphenyl)methyl]-1,3-benzothiazole-6-carboxamide?
The canonical SMILES for 1-ethyl-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]benzotriazole-5-carboxamide;1-(3H-isoindol-1-yl)-3-(4-morpholin-4-ylsulfonylphenyl)propan-1-one;3-(methoxymethyl)-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]-1-benzofuran-2-carboxamide;3-methyl-1-(2-methylpropyl)-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]thieno[3,2-d]pyrazole-5-carboxamide;3-methyl-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]-1-benzofuran-2-carboxamide;5-methyl-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]imidazo[1,2-a]pyridine-2-carboxamide;N-[(4-morpholin-4-ylsulfonylphenyl)methyl]-1,3-benzothiazole-6-carboxamide is CCn1nnc2cc(C(=O)NCc3ccc(S(=O)(=O)N4CCOCC4)cc3)ccc21.COCc1c(C(=O)NCc2ccc(S(=O)(=O)N3CCOCC3)cc2)oc2ccccc12.Cc1c(C(=O)NCc2ccc(S(=O)(=O)N3CCOCC3)cc2)oc2ccccc12.Cc1cccc2nc(C(=O)NCc3ccc(S(=O)(=O)N4CCOCC4)cc3)cn12.Cc1nn(CC(C)C)c2sc(C(=O)NCc3ccc(S(=O)(=O)N4CCOCC4)cc3)cc12.O=C(CCc1ccc(S(=O)(=O)N2CCOCC2)cc1)C1=NCc2ccccc21.O=C(NCc1ccc(S(=O)(=O)N2CCOCC2)cc1)c1ccc2ncsc2c1.
What is the InChIKey of 1-ethyl-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]benzotriazole-5-carboxamide;1-(3H-isoindol-1-yl)-3-(4-morpholin-4-ylsulfonylphenyl)propan-1-one;3-(methoxymethyl)-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]-1-benzofuran-2-carboxamide;3-methyl-1-(2-methylpropyl)-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]thieno[3,2-d]pyrazole-5-carboxamide;3-methyl-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]-1-benzofuran-2-carboxamide;5-methyl-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]imidazo[1,2-a]pyridine-2-carboxamide;N-[(4-morpholin-4-ylsulfonylphenyl)methyl]-1,3-benzothiazole-6-carboxamide?
The InChIKey is AYYCJILYTQMTPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N4O4S2.C22H24N2O6S.C21H22N2O5S.C21H22N2O4S.C20H23N5O4S.C20H22N4O4S.C19H19N3O4S2/c1-15(2)14-26-22-19(16(3)24-26)12-20(31-22)21(27)23-13-17-4-6-18(7-5-17)32(28,29)25-8-10-30-11-9-25;1-28-15-19-18-4-2-3-5-20(18)30-21(19)22(25)23-14-16-6-8-17(9-7-16)31(26,27)24-10-12-29-13-11-24;1-15-18-4-2-3-5-19(18)28-20(15)21(24)22-14-16-6-8-17(9-7-16)29(25,26)23-10-12-27-13-11-23;24-20(21-19-4-2-1-3-17(19)15-22-21)10-7-16-5-8-18(9-6-16)28(25,26)23-11-13-27-14-12-23;1-2-25-19-8-5-16(13-18(19)22-23-25)20(26)21-14-15-3-6-17(7-4-15)30(27,28)24-9-11-29-12-10-24;1-15-3-2-4-19-22-18(14-24(15)19)20(25)21-13-16-5-7-17(8-6-16)29(26,27)23-9-11-28-12-10-23;23-19(15-3-6-17-18(11-15)27-13-21-17)20-12-14-1-4-16(5-2-14)28(24,25)22-7-9-26-10-8-22/h4-7,12,15H,8-11,13-14H2,1-3H3,(H,23,27);2-9H,10-15H2,1H3,(H,23,25);2-9H,10-14H2,1H3,(H,22,24);1-6,8-9H,7,10-15H2;3-8,13H,2,9-12,14H2,1H3,(H,21,26);2-8,14H,9-13H2,1H3,(H,21,25);1-6,11,13H,7-10,12H2,(H,20,23).
What are the key properties of 1-ethyl-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]benzotriazole-5-carboxamide;1-(3H-isoindol-1-yl)-3-(4-morpholin-4-ylsulfonylphenyl)propan-1-one;3-(methoxymethyl)-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]-1-benzofuran-2-carboxamide;3-methyl-1-(2-methylpropyl)-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]thieno[3,2-d]pyrazole-5-carboxamide;3-methyl-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]-1-benzofuran-2-carboxamide;5-methyl-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]imidazo[1,2-a]pyridine-2-carboxamide;N-[(4-morpholin-4-ylsulfonylphenyl)methyl]-1,3-benzothiazole-6-carboxamide?
1-ethyl-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]benzotriazole-5-carboxamide;1-(3H-isoindol-1-yl)-3-(4-morpholin-4-ylsulfonylphenyl)propan-1-one;3-(methoxymethyl)-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]-1-benzofuran-2-carboxamide;3-methyl-1-(2-methylpropyl)-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]thieno[3,2-d]pyrazole-5-carboxamide;3-methyl-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]-1-benzofuran-2-carboxamide;5-methyl-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]imidazo[1,2-a]pyridine-2-carboxamide;N-[(4-morpholin-4-ylsulfonylphenyl)methyl]-1,3-benzothiazole-6-carboxamide has a molecular weight of 2995.60 g/mol, XLogP of 15.69, 41 rotatable bonds, 6 hydrogen bond donors, and 42 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]benzotriazole-5-carboxamide;1-(3H-isoindol-1-yl)-3-(4-morpholin-4-ylsulfonylphenyl)propan-1-one;3-(methoxymethyl)-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]-1-benzofuran-2-carboxamide;3-methyl-1-(2-methylpropyl)-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]thieno[3,2-d]pyrazole-5-carboxamide;3-methyl-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]-1-benzofuran-2-carboxamide;5-methyl-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]imidazo[1,2-a]pyridine-2-carboxamide;N-[(4-morpholin-4-ylsulfonylphenyl)methyl]-1,3-benzothiazole-6-carboxamide is sourced from PubChem (CID 157274568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).